methyl 4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)benzoate Openeye Name: methyl 4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)benzoate CAS Name: 4-[(4-thieno[2,3-d]pyrimidinylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)benzoate Traditional Name: 4-[(thieno[2,3-d]pyrimidin-4-ylthio)methyl]benzoic acid methyl ester Formula: C15H12N2O2S2 MolecularWeight: 316.39798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C15H12N2O2S2/c1-19-15(18)11-4-2-10(3-5-11)8-21-14-12-6-7-20-13(12)16-9-17-14/h2-7,9H,8H2,1H3